1-(3-methoxyphenyl)-N3-(4-morpholin-4-ylsulfonylphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide

Systemtic Name: 1-(3-methoxyphenyl)-N3-(4-morpholin-4-ylsulfonylphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide Openeye Name: 1-(3-methoxyphenyl)-N3-(4-morpholinosulfonylphenyl)-2-sulfanyl-imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide CAS Name: 2-mercapto-1-(3-methoxyphenyl)-N3-[4-(4-morpholinylsulfonyl)phenyl]imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide IUPAC Name: 1-(3-methoxyphenyl)-3-N-(4-morpholin-4-ylsulfonylphenyl)-2-sulfanylimidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide Traditional Name: 2-mercapto-1-(3-methoxyphenyl)-N-(4-morpholinosulfonylphenyl)imidazo[1,2-a]pyridin-4-ium-3,6-dicarboxamide Formula: C26H26N5O6S2+ MolecularWeight: 568.64454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C3=[N+](C=C(C=C3)C(=O)N)C(=C2S)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

COC1=CC=CC(=C1)N2C3=[N+](C=C(C=C3)C(=O)N)C(=C2S)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C26H25N5O6S2/c1-36-20-4-2-3-19(15-20)31-22-10-5-17(24(27)32)16-30(22)23(26(31)38)25(33)28-18-6-8-21(9-7-18)39(34,35)29-11-13-37-14-12-29/h2-10,15-16H,11-14H2,1H3,(H3-,27,28,32,33,38)/p+1